N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

C20H19FN2O4S — CID 46355712

IUPACN-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C20H19FN2O4S/c1-26-14-4-6-19(27-2)17(9-14)23-20(25)11-28-10-13-8-18(24)15-7-12(21)3-5-16(15)22-13/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFDKQJHHVKFOVQW-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.56
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (PubChem CID 46355712) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
PubChem CID46355712
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C20H19FN2O4S/c1-26-14-4-6-19(27-2)17(9-14)23-20(25)11-28-10-13-8-18(24)15-7-12(21)3-5-16(15)22-13/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyFDKQJHHVKFOVQW-UHFFFAOYSA-N
XLogP3.56
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355630
N-(2,5-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355601
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 22580167
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355722
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46355694
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 26635675
N-(4-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355420
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 46355444
N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 46355519

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (CID 46355712) is N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is COc1ccc(OC)c(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The InChIKey is FDKQJHHVKFOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-26-14-4-6-19(27-2)17(9-14)23-20(25)11-28-10-13-8-18(24)15-7-12(21)3-5-16(15)22-13/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 46355712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).